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Home > Nitro Compounds > 87587-64-2

87587-64-2

87587-64-2 | Benzene, 1,2-dimethoxy-4-nitroso-

CAS No: 87587-64-2 Catalog No: AG004QYT MDL No:

Product Description

Catalog Number:
AG004QYT
Chemical Name:
Benzene, 1,2-dimethoxy-4-nitroso-
CAS Number:
87587-64-2
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
1,2-dimethoxy-4-nitrosobenzene
InChI:
InChI=1S/C8H9NO3/c1-11-7-4-3-6(9-10)5-8(7)12-2/h3-5H,1-2H3
InChI Key:
MORJMNOGOVHHKB-UHFFFAOYSA-N
SMILES:
COc1cc(N=O)ccc1OC

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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